Geometry & MOs

Info

ID:	417102
PubChem CID:	135091378
Reduced:	FOSN2C15H19 (1)
Stoich.:	ABCD2E15F19 (1)
Weight, g/mol:	303.169525
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	4.84
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[4-(ethylamino)pyrimidin-2-yl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCSCC(=O)N(C)CC1=CC2=C(N1)C=CC(=C2)F

DOS

IR

Vibrations